Home Other Building Blocks 5-FLUORO-2-(4-PROPAN-2-YLPHENYL)SULFANYLBENZOIC ACID

5-FLUORO-2-(4-PROPAN-2-YLPHENYL)SULFANYLBENZOIC ACID

CAS No.:
91527-94-5
Catalog Number:
AG01EKIZ
Molecular Formula:
C16H15FO2S
Molecular Weight:
290.3525
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Product Description
Catalog Number:
AG01EKIZ
Chemical Name:
5-FLUORO-2-(4-PROPAN-2-YLPHENYL)SULFANYLBENZOIC ACID
CAS Number:
91527-94-5
Molecular Formula:
C16H15FO2S
Molecular Weight:
290.3525
IUPAC Name:
5-fluoro-2-(4-propan-2-ylphenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C16H15FO2S/c1-10(2)11-3-6-13(7-4-11)20-15-8-5-12(17)9-14(15)16(18)19/h3-10H,1-2H3,(H,18,19)
InChI Key:
RDQIROAPSJMUCO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)Sc1ccc(cc1)C(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.078g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.352g/mol
Monoisotopic Mass:
290.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties